| SpectraBase Compound ID | CqEsvPvyWYs |
|---|---|
| InChI | InChI=1S/C5H9ClO/c1-5(4-7)2-3-6/h4-5H,2-3H2,1H3/t5-/m0/s1 |
| InChIKey | RKGRKVOYHNAUAY-YFKPBYRVSA-N |
| Mol Weight | 120.58 g/mol |
| Molecular Formula | C5H9ClO |
| Exact Mass | 120.034193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BPO3qhhvB0J |
|---|---|
| Name | (2S)-4-Chloro-2-methylbutanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 120.034192609 u |
| Formula | C5H9ClO |
| InChI | InChI=1S/C5H9ClO/c1-5(4-7)2-3-6/h4-5H,2-3H2,1H3/t5-/m0/s1 |
| InChIKey | RKGRKVOYHNAUAY-YFKPBYRVSA-N |
| SMILES | C(=O)[C@](CCCl)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961396 |